General Information of the Compound
| Compound ID |
CP0123400
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| Compound Name |
US9409895, 17
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| Synonyms |
Heteroaromatic ring derivative 2
PMID28447479-Compound-17
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| Structure |
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| Formula |
C19H23Cl2N5O3
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| Molecular Weight |
440.331
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| Canonical SMILES |
Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
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| InChI |
InChI=1S/C19H23Cl2N5O3/c20-14-8-13(9-15(21)10-14)12-29-19(28)26-6-4-16(5-7-26)23-18(27)3-1-2-17-11-22-25-24-17/h8-11,16H,1-7,12H2,(H,23,27)(H,22,24,25)
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| InChIKey |
GAMSNABJTRSYDT-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound
Drug 1 ( Heteroaromatic ring derivative 2 )
| Drug Name | Heteroaromatic ring derivative 2 | ||
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| Company | FURMINGER, Vikki HUGHES, Owen LEGRAND, Darren STANLEY, Emily THOMSON, Christopher WILLIAMS, Gareth NOVARTIS ANOVARTIS AG FURMINGER, Vikki HUGHES, Owen THOMSON, Christopher LEGRAND, Darren, Mark STANLEY, Emil | ||
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